6-Amino-1-Cyclopropyl-9-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purine-3,7-Diium-6-Id-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C13H19N5O5
IUPAC Name 6-amino-1-cyclopropyl-9-[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-3,7-diium-6-id-2-one
Molecular Mass 325.320 g·mol−1
Heat of Formation -554.3 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 354.03 Å 3
Surface Area 310.26 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey BGQFDBQPOMWDGD-CCQAIOMUSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N